# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T17:55:39+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') AND volume = 33 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4003853","4.851","0.003","15.583","0.013","31.935","0.019","84.3","0.07","89.69","0.06","88.27","0.05","2401","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H59 N6 O6 S6 -","- C45 H59 N6 O6 S6 -","- C90 H118 N12 O12 S12 -","2","1","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.1999","0.1026","","","0.313","0.3801","","","","","","0.964","","","","has coordinates","261498","2021-02-04","03:30:00",""
"4003854","4.9878","0.0004","9.7409","0.0008","19.1522","0.0017","101.842","0.003","94.838","0.003","103.9","0.002","875.26","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","1","0.5","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.0556","0.0484","","","0.1619","0.1673","","","","","","1.062","","","","has coordinates","261498","2021-02-04","03:30:02",""
"4003859","8.8931","0.0004","10.3264","0.0005","14.3451","0.0007","103.923","0.003","92.734","0.003","106.388","0.003","1217.22","0.1","299","2","299.46","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0588","0.0482","","","0.1298","0.139","","","","","","1.041","","","","has coordinates,has disorder","261427","2021-02-03","22:32:13",""
"4003860","4.5558","0.0004","15.5895","0.0015","34.87","0.003","90","","93.504","0.007","90","","2471.9","0.4","299","2","299.49","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O S3 -","- C26 H30 N2 O S3 -","- C104 H120 N8 O4 S12 -","4","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0861","0.0537","","","0.1312","0.1482","","","","","","1.027","","","","has coordinates,has disorder","261428","2021-02-03","22:32:37",""
"4003861","4.5636","0.0011","4.5636","0.0011","7.228","0.002","90","","90","","120","","130.37","0.06","298.15","","298.15","","","","101325","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.0152","0.0152","","","0.0323","0.0323","","","","","","1.182","","","","has coordinates","261429","2021-02-03","22:33:00",""
"4003862","4.4808","0.0003","4.4808","0.0003","7.066","0.003","90","","90","","120","","122.86","0.05","298.15","","298.15","","","","3210000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1687","0.0924","","","0.1759","0.3306","","","","","","1.634","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003863","4.442","0.0019","4.442","0.0019","7.001","0.006","90","","90","","120","","119.63","0.13","298.15","","298.15","","","","4880000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1006","0.0826","","","0.2198","0.286","","","","","","1.511","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003864","15.118","0.007","4.2228","0.0007","7.7014","0.0012","90","","117.56","0.02","90","","435.9","0.2","298.15","","298.15","","","","7740000","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg12 Sb8 -","4","0.5","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.196","0.1272","","","0.3127","0.4647","","","","","","1.933","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003865","10.6652","0.0007","11.9991","0.0008","16.053","0.0008","90","","90","","90","","2054.3","0.2","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C56 H72 Cl3.08 F0.92 Mn4 N36 P4 -","4","1","","He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong","Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution","Chemistry of Materials","2021","33","2","799","805","10.1021/acs.chemmater.0c04735","","","0.71073","MoKα","","0.1347","0.1282","","","0.2785","0.2796","","","","","","1.017","","","","has coordinates","261430","2021-02-03","22:34:49",""
"4003879","11.8864","0.0007","11.9974","0.0007","13.1689","0.0008","91.86","0.001","96.886","0.001","97.367","0.001","1846.84","0.19","175","","175","","","","","","","","","7","P 1","P 1","1","","","","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","","0.71073","MoKα","","0.0307","0.0298","","","0.0739","0.0744","","","","","","1.048","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003880","11.8584","0.0004","12.082","0.0006","13.0866","0.0005","92.367","0.004","96.922","0.003","98.281","0.004","1838.6","0.13","298","","298","","","","","","","","","7","P 1","P 1","1","","","","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","x-ray","0.71073","MoKα","","0.0534","0.0393","","","0.0834","0.0881","","","","","","1.005","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003881","6.137","0.004","7.394","0.005","5.94","0.004","90","","90","","90","","269.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl N Zn2 -","- Cl N Zn2 -","- Cl4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0267","0.0253","","","0.0573","0.0578","","","","","","1.111","","","","has coordinates","262419","2021-03-03","23:21:51",""
"4003882","6.222","0.007","7.65","0.008","6.094","0.007","90","","90","","90","","290.1","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Br N Zn2 -","- Br N Zn2 -","- Br4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0319","0.0302","","","0.066","0.0667","","","","","","1.016","","","","has coordinates","262420","2021-03-03","23:22:13",""
"4003883","10.5204","0.0008","6.0756","0.0004","9.953","0.0007","90","","90","","90","","636.17","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cl2 Li6 O4 Si -","- Cl2 Li6 O4 Si -","- Cl8 Li24 O16 Si4 -","4","1","","Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.","Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking","Chemistry of Materials","2021","33","6","2206","2217","10.1021/acs.chemmater.1c00157","","x-ray","0.71073","MoKα","","0.075","0.053","","","0.1189","0.1279","","","","","","1.11","","","","has coordinates","263594","2021-04-04","10:00:50",""
"4003884","15.465","0.005","7.409","0.002","13.518","0.004","90","","106.912","0.003","90","","1481.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N6 S4 -","- C32 H30 N6 S4 -","- C64 H60 N12 S8 -","2","0.5","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0427","0.0335","","","0.0788","0.084","","","","","","0.962","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003885","4.6536","0.0005","16.9349","0.0016","18.5594","0.0018","108.705","0.001","94.538","0.001","97.258","0.001","1363.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 S4 -","- C30 H32 N4 S4 -","- C60 H64 N8 S8 -","2","1","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0598","0.0385","","","0.0847","0.0939","","","","","","0.984","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003886","4.4815","0.0003","21.6649","0.0016","4.522","0.0003","90","","90","","90","","439.05","0.05","293","","293","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","","- K La Mn0.65 Te4 -","- K La Mn0.65 Te4 -","- K2 La2 Mn1.3 Te8 -","2","0.25","","Bao, Jin-Ke; Malliakas, Christos D.; Zhang, Chi; Cai, Songting; Chen, Haijie; Rettie, Alexander J. E.; Fisher, Brandon L.; Chung, Duck Young; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Quasi-Two-Dimensional Heterostructures (KM1 ‒ xTe)(LaTe3) (M = Mn and Zn) with Charge Density Waves","Chemistry of Materials","2021","33","6","2155","2164","10.1021/acs.chemmater.0c04923","","x-ray","0.71075","MoKα","","0.0728","0.0535","","","0.1317","0.1341","","","","4.09","4.09","3.22","","","","has coordinates","263596","2021-04-04","10:01:10",""
"4003887","10.9694","0.0011","8.41","0.0008","16.0703","0.0016","90","","107.488","0.003","90","","1414","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Co5 N2 O24 S2 -","- C10 H28 Co5 N2 O24 S2 -","- C20 H56 Co10 N4 O48 S4 -","2","0.5","","Perez, Jem Valerie; Sorolla, Maurice; Wang, Xiqu; Jacobson, Allan J.","“Stagomé” Lattice: The Missing Member of the Star-Kagomé Family","Chemistry of Materials","2021","33","6","2173","2177","10.1021/acs.chemmater.1c00070","","","0.71073","MoKα","","0.0191","0.0174","","","0.044","0.0448","","","","","","1.051","","","","has coordinates","263595","2021-04-04","10:00:57",""
"4003899","5.8392","0.0003","5.8392","0.0003","14.5176","0.0008","90","","90","","120","","428.68","0.04","299","2","299","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0215","0.0213","","","0.0601","0.0602","","","","","","1.215","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003900","5.8532","0.0003","5.8532","0.0003","14.2601","0.0007","90","","90","","120","","423.1","0.04","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0264","0.0261","","","0.0818","0.0819","","","","","","1.191","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003901","4.3706","0.0002","4.3706","0.0002","9.2475","0.0007","90","","90","","90","","176.647","0.018","100","1","100","1","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Gadolinium bismutide telluride","","- Bi Gd Te -","- Bi Gd Te -","- Bi2 Gd2 Te2 -","2","0.125","","Gebauer, Paul; Poddig, Hagen; Corredor-Bohorquez, Laura T.; Menshchikova, Tatiana V.; Rusinov, Igor P.; Golub, Pavlo; Caglieris, Federico; Benndorf, Christopher; Lindemann, Tobias; Chulkov, Evgueni V.; Wolter, Anja U. B.; Büchner, Bernd; Doert, Thomas; Isaeva, Anna","Heavy-Atom Antiferromagnet GdBiTe: An Interplay of Magnetism and Topology in a Symmetry-Protected Topological Semimetal","Chemistry of Materials","2021","33","7","2420","2435","10.1021/acs.chemmater.0c04649","","","0.71073","MoKα","","0.0158","0.0149","","","0.0323","0.0324","","","","","","1.106","","","","has coordinates","264819","2021-05-04","00:49:18",""
"4003902","11.8656","0.0006","11.8656","0.0006","11.8656","0.0006","90","","90","","90","","1670.59","0.15","120","2","120","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.8005 P4 -","- Ga8 Li70.404 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0597","0.0249","","","0.0404","0.0487","","","","","","1.134","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003903","11.8804","0.0006","11.8804","0.0006","11.8804","0.0006","90","","90","","90","","1676.85","0.15","200","2","200","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.85 P4 -","- Ga Li8.8505 P4 -","- Ga8 Li70.804 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0665","0.0277","","","0.046","0.0558","","","","","","1.111","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003904","11.8624","0.0006","11.8624","0.0006","11.8624","0.0006","90","","90","","90","","1669.24","0.15","95","2","95","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.7995 P4 -","- Ga8 Li70.396 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.06","0.0256","","","0.0464","0.0563","","","","","","1.142","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003905","11.9053","0.0007","11.9053","0.0007","11.9053","0.0007","90","","90","","90","","1687.41","0.17","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.6 P4 -","- Ga Li8.595 P4 -","- Ga8 Li68.76 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0816","0.0307","","","0.0513","0.0662","","","","","","1.096","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003906","11.8704","0.0006","11.8704","0.0006","11.8704","0.0006","90","","90","","90","","1672.62","0.15","150","2","150","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.84 P4 -","- Ga Li8.8375 P4 -","- Ga8 Li70.7 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0627","0.0253","","","0.0435","0.0532","","","","","","1.132","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003907","11.8907","0.0006","11.8907","0.0006","11.8907","0.0006","90","","90","","90","","1681.21","0.15","250","2","250","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.81 P4 -","- Ga Li8.813 P4 -","- Ga8 Li70.504 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0727","0.0285","","","0.0459","0.0566","","","","","","1.119","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003913","33.4671","0.0002","33.4671","0.0002","21.4175","0.0002","90","","90","","90","","23988.6","0.3","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C126 H102 Co7 O30 -","- C126 H102 Co7 O30 -","- C1008 H816 Co56 O240 -","8","0.5","","Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan","I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction","Chemistry of Materials","2021","33","8","2804","2813","10.1021/acs.chemmater.0c04785","","","0.71073","MoKα","","0.0395","0.0291","","","0.0574","0.0611","","","","","","1.024","","","","has coordinates,has disorder","264818","2021-05-04","00:49:06",""
"4003917","8.0451","0.0008","6.8485","0.0005","11.7325","0.001","90","","90","","90","","646.42","0.1","100.01","0.15","100.01","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ce F2 I2 O6 -","- Ce F2 I2 O6 -","- Ce4 F8 I8 O24 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao","A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance","Chemistry of Materials","2021","33","8","2894","2900","10.1021/acs.chemmater.1c00222","","x-ray","0.71073","MoKα","","0.0306","0.0291","","","0.0632","0.0644","","","","","","1.046","","","","has coordinates","264803","2021-05-03","20:59:35",""
"4003918","9.9594","0.0003","15.4166","0.0005","17.047","0.0005","108.972","0.001","92.537","0.001","101.518","0.001","2408.47","0.13","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 N5 O2 S -","- C58 H57 N5 O2 S -","- C116 H114 N10 O4 S2 -","2","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0555","0.0502","","","0.1393","0.1447","","","","","","1.04","","","","has coordinates,has disorder","265753","2021-06-04","00:59:24",""
"4003919","9.0868","0.0002","20.4276","0.0005","20.6493","0.0005","90","","99.422","0.001","90","","3781.25","0.15","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cl N4 O -","- C43 H47 Cl N4 O -","- C172 H188 Cl4 N16 O4 -","4","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0871","0.0798","","","0.2483","0.2584","","","","","","1.039","","","","has coordinates,has disorder","265753","2021-06-04","00:59:25",""
"4003920","8.1305","0.0002","19.48","0.0005","9.0508","0.0002","90","","91.955","0.002","90","","1432.65","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","KSb5S8","","","- K2 S16 Sb10 -","- K2 S16 Sb10 -","- K4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0194","0.019","","","0.0458","0.0459","","","","","","1.008","","","","has coordinates","265754","2021-06-04","00:59:32",""
"4003921","11.7811","0.0003","8.8645","0.0002","15.8103","0.0004","90","","104.688","0.003","90","","1597.17","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CsSb5S8","","","- Cs S8 Sb5 -","- Cs S8 Sb5 -","- Cs4 S32 Sb20 -","4","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0182","0.0164","","","0.0376","0.0382","","","","","","1.044","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003922","8.177","0.0002","19.5619","0.0004","9.0795","0.0002","90","","91.822","0.002","90","","1451.6","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","RbSb5S8","","","- Rb2 S16 Sb10 -","- Rb2 S16 Sb10 -","- Rb4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0299","0.0291","","","0.0813","0.0817","","","","","","1.242","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003951","4.1746","0.0001","9.3604","0.0002","32.3368","0.0009","90","","92.283","0.001","90","","1262.59","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0342","0.0294","","","0.0822","0.0841","","","","","","1.226","","","","has coordinates","266968","2021-07-04","01:42:34",""
"4003952","4.1022","0.0002","9.3957","0.0005","31.6556","0.0015","90","","90.237","0.002","90","","1220.09","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0594","0.0587","","","0.1866","0.187","","","","","","1.255","","","","has coordinates","266968","2021-07-04","01:42:39",""
"4003953","35.201","0.003","3.6649","0.0003","9.9848","0.0009","90","","91.863","0.002","90","","1287.44","0.19","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- As Cs0.11 Si0.95 Zn0.05 -","- As Cs0.109333 Si0.951 Zn0.049 -","- As24 Cs2.624 Si22.824 Zn1.176 -","24","3","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0619","0.0392","","","0.0619","0.0662","","","","","","1.117","","","","has coordinates","266967","2021-07-04","01:41:49",""
"4003954","10.0496","0.0006","3.7429","0.0002","15.3975","0.0008","90","","93.929","0.002","90","","577.81","0.06","100","2","100","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As7 Ge4.93 Li1.07 -","- As7 Ge4.923 Li1.077 -","- As14 Ge9.846 Li2.154 -","2","0.5","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0364","0.0267","","","0.0589","0.0616","","","","","","1.1","","","","has coordinates","266967","2021-07-04","01:41:54",""
"4003972","11.2186","0.0003","13.7976","0.0004","15.2854","0.0004","90","","96.979","0.002","90","","2348.49","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I6 Na2 O15 -","- C48 H104 Cu8 I12 Na4 O30 -","2","0.5","","Huang, Jinglong; Su, Binbin; Song, Enhai; Molokeev, Maxim S.; Xia, Zhiguo","Ultra-Broad-Band-Excitable Cu(I)-Based Organometallic Halide with Near-Unity Emission for Light-Emitting Diode Applications","Chemistry of Materials","2021","33","12","4382","4389","10.1021/acs.chemmater.1c00085","","","0.71073","MoKα","","0.0296","0.0236","","","0.05","0.0522","","","","","","0.95","","","","has coordinates","266943","2021-07-03","21:16:28",""
"4004023","5.7203","0.0002","6.546","0.0002","6.7887","0.0002","86.6638","0.001","88.7402","0.001","89.5149","0.001","253.705","0.014","300","2","299.92","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Co2 Nd -","- B2 Co2 Nd -","- B8 Co8 Nd4 -","4","2","","Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J.","Metastable β-NdCo2B2: A Triclinic Polymorph with Magnetic Ordering","Chemistry of Materials","2021","33","16","6374","6382","10.1021/acs.chemmater.1c01545","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0382","0.0397","","","","","","1.057","","","","has coordinates","268447","2021-09-03","21:59:04",""
"4004024","24.9258","0.001","5.4638","0.0002","5.4927","0.0002","90","","90","","90","","748.05","0.05","299","2","299","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Bi5 Na Nb4 O18 -","- Bi5 Na Nb4 O18 -","- Bi10 Na2 Nb8 O36 -","2","0.25","","Kim, Kisung; Lee, Min Hyung; Ok, Kang Min","Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9","Chemistry of Materials","2021","33","16","6564","6571","10.1021/acs.chemmater.1c02203","","x-ray","0.71073","MoKα","","0.0494","0.0492","","","0.1419","0.1421","","","","","","1.14","","","","has coordinates","268448","2021-09-03","21:59:28",""
"4004025","16.52","0.02","8.223","0.01","9.293","0.011","90","","90","","90","","1262","3","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie","Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold","Chemistry of Materials","2021","33","16","6514","6521","10.1021/acs.chemmater.1c01982","","","0.71073","MoKα","","0.0366","0.0309","","","0.0682","0.0713","","","","","","0.969","","","","has coordinates","268449","2021-09-03","21:59:47",""
"4004026","10.3586","0.0003","12.474","0.0004","16.2912","0.0005","90","","93.407","0.001","90","","2101.32","0.11","294","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Ca5 O22 S2 -","- C24 H42 Ca5 O22 S2 -","- C48 H84 Ca10 O44 S4 -","2","0.5","","Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying","Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems","Chemistry of Materials","2021","33","18","7272","7282","10.1021/acs.chemmater.1c01514","","","0.71073","MoKα","","0.0486","0.0419","","","0.1183","0.1229","","","","","","1.039","","","","has coordinates,has disorder","269504","2021-10-03","21:45:38",""
"4004027","20.5838","0.0013","15.8576","0.0009","16.9689","0.0006","84.446","0.004","85.324","0.004","69.545","0.006","5158.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","JUK-20-eve","","","- C34 H29 Cd N9 O6 -","- C34 H29 Cd N9 O6 -","- C136 H116 Cd4 N36 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1094","0.055","","","0.1218","0.1476","","","","","","1.005","","","","has coordinates","269505","2021-10-03","21:46:06",""
"4004028","20.6808","0.0003","15.8316","0.0002","16.3301","0.0003","90","","94.133","0.001","90","","5332.74","0.14","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C40 H39 Cd N9 O7 -","- C40 H39 Cd N9 O7 -","- C160 H156 Cd4 N36 O28 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0723","0.0677","","","0.2002","0.2045","","","","","","1.055","","","","has coordinates,has disorder","269506","2021-10-03","21:46:34",""
"4004029","10.7072","0.0003","9.5189","0.0002","15.7651","0.0003","90","","96.508","0.002","90","","1596.44","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DPT-noh","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.0666","0.0596","","","0.1634","0.1696","","","","","","1.039","","","","has coordinates,has disorder","269507","2021-10-03","21:46:56",""
"4004030","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-nor","","","- C29 H20 Cd N8 O5 -","- C29 H20 Cd N8 O5 -","- C116 H80 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.081","0.0602","","","0.1733","0.1942","","","","","","1.038","","","","has coordinates,has disorder","269508","2021-10-03","21:47:21",""
"4004031","20.4536","0.0005","15.7247","0.0005","17.0953","0.0002","86.129","0.002","85.252","0.002","70.324","0.003","5154.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","JUK-20","","","- C32 H27 Cd N11 O6 -","- C32 H27 Cd N11 O6 -","- C128 H108 Cd4 N44 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0811","0.0714","","","0.1965","0.2109","","","","","","1.063","","","","has coordinates","269509","2021-10-03","21:47:47",""
"4004032","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C36 H30 Cd N8 O5 -","- C36 H30 Cd N8 O5 -","- C144 H120 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","","0.71073","MoKα","","0.0959","0.0746","","","0.2279","0.2502","","","","","","1.069","","","","has coordinates,has disorder","269510","2021-10-03","21:48:13",""
"4004033","10.6147","0.0006","9.0978","0.0005","15.2177","0.0009","90","","96.57","0.005","90","","1459.93","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPT-nor","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.061","0.0574","","","0.1638","0.1715","","","","","","1.05","","","","has coordinates","269511","2021-10-03","21:48:35",""
"4004034","26.8453","0.0016","5.7386","0.0003","7.249","0.0004","90","","107.645","0.006","90","","1064.2","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DPT-eve","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.5","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0388","0.038","","","0.1011","0.1027","","","","","","1.067","","","","has coordinates","269512","2021-10-03","21:48:56",""
"4004035","20.488","0.0004","15.7873","0.0002","16.812","0.0004","90","","95.489","0.002","90","","5412.91","0.18","121","2","121","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-chx","","","- C35 H28 Cd N8 O5 -","- C35 H28 Cd N8 O5 -","- C140 H112 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1463","0.1067","","","0.2639","0.2979","","","","","","1.054","","","","has coordinates,has disorder","269513","2021-10-03","21:49:21",""
"4004044","16.378","0.003","16.378","0.003","27.376","0.007","90","","90","","90","","7343","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","NaCu3(C2H3N4)4","'NaCu3(C2H3N4)4'","","- C8 H12 Cu3 N16 Na -","- C8 H12 Cu3 N16 Na -","- C128 H192 Cu48 N256 Na16 -","16","0.5","","Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong","Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene","Chemistry of Materials","2021","33","19","7858","7868","10.1021/acs.chemmater.1c02562","","","0.71073","MoKα","","0.039","0.0387","","","0.165","0.1653","","","","","","1.429","","","","has coordinates","270263","2021-11-03","22:33:29",""
"4004045","46.14","0.005","46.14","0.005","46.14","0.005","90","","90","","90","","98227","18","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Cu2 N2 O11 -","- C40.5 H18 Cu2 N O11 -","- C972 H432 Cu48 N24 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.107","0.0809","","","0.2426","0.2888","","","","","","1.148","","","","has coordinates,has disorder","270264","2021-11-03","22:35:53",""
"4004046","46.47","0.005","46.47","0.005","46.47","0.005","90","","90","","90","","100350","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 N2 O11 Zn2 -","- C40.5 H18 N2 O11 Zn2 -","- C972 H432 N48 O264 Zn48 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.0922","0.0787","","","0.2415","0.2698","","","","","","1.139","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004047","46.52","0.005","46.52","0.005","46.52","0.005","90","","90","","90","","100674","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Co2 N2 O11 -","- C40.5 H22 Co2 N2 O11 -","- C972 H528 Co48 N48 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.1778","0.1445","","","0.3768","0.4208","","","","","","1.945","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004048","16.6247","0.0015","16.6247","0.0015","22.222","0.002","90","","90","","90","","6141.7","1","90","2","90","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15 -","- Ba0.2472 Ca3.4166 Mg1.1824 Sb11 Yb10.153 -","- Ba1.9776 Ca27.3328 Mg9.4592 Sb88 Yb81.224 -","8","0.25","","Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M.","Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6)","Chemistry of Materials","2021","33","20","8059","8069","10.1021/acs.chemmater.1c02584","","","0.71073","MoKα","","0.0208","0.0199","","","0.0435","0.0438","","","","","","1.183","","","","has coordinates,has disorder","270265","2021-11-03","22:36:53",""
"4004049","6.5845","0.0002","3.8012","0.0001","7.7116","0.0002","90","","106.548","0.001","90","","185.019","0.009","273","2","273.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr K Se2 -","- Cr K Se2 -","- Cr2 K2 Se4 -","2","0.25","","Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M.","Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2","Chemistry of Materials","2021","33","20","8070","8078","10.1021/acs.chemmater.1c02620","","","0.71073","MoKα","","0.0189","0.0179","","","0.0428","0.0432","","","","","","1.417","","","","has coordinates","270266","2021-11-03","22:37:16",""
"4004050","13.5717","0.0018","13.5717","0.0018","9.9759","0.0018","90","","90","","120","","1591.3","0.4","250","2","250","","","","","","","","","6","P -3 1 m","-P 3 2","162","2","","","- C14 H24 Cl2 Fe2 N2 O4 -","- C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4 -","- C26 H24.0012 Cl6 Fe2 N2 O12 -","3","0.25","","Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David","Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order","Chemistry of Materials","2021","33","22","8712","8721","10.1021/acs.chemmater.1c02670","","","1.54178","CuKα","","0.1294","0.1011","","","0.2595","0.2916","","","","","","1.09","","","","has coordinates,has disorder","271063","2021-12-03","23:11:44",""
"4004051","6.9973","0.001","12.147","0.0017","18.2554","0.0025","90","","90.7345","0.0026","90","","1551.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- N O2 Si Y -","- N O2 Si Y -","- N24 O48 Si24 Y24 -","24","3","","Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa","Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N","Chemistry of Materials","2021","33","22","8873","8885","10.1021/acs.chemmater.1c03139","","","0.71073","MoKα","","0.0784","0.0309","","","","0.0684","","","","","","0.863","","","","has coordinates","271064","2021-12-03","23:12:16",""
"4004052","8.4328","0.0002","9.8807","0.0002","9.9005","0.0002","68.215","0.002","74.887","0.002","84.956","0.002","739.49","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.041","0.0388","","","0.0817","0.0826","","","","","","1.017","","","","has coordinates","271065","2021-12-03","23:12:33",""
"4004053","8.772","0.0003","10.2955","0.0003","10.3146","0.0003","68.356","0.002","74.92","0.003","84.93","0.002","836.01","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9Se16Cl","","","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.0582","0.0448","","","0.0873","0.0916","","","","","","0.955","","","","has coordinates","271066","2021-12-03","23:12:46",""
"4004054","22.57","0.05","28.68","0.06","10.94","0.03","90","","90","","90","","7082","3","293","2","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H46 Co6 O34 -","- C45 H46 Co6 O34 -","- C180 H184 Co24 O136 -","4","1","","Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.","Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving","Chemistry of Materials","2021","33","22","8886","8894","10.1021/acs.chemmater.1c03170","","","1.54178","CuKα","","0.1463","0.1107","","","0.2647","0.2985","","","","","","1.099","","","","has coordinates","271067","2021-12-03","23:13:11",""
"4004055","15.2567","0.003","8.8952","0.0002","8.8314","0.0011","90","","124.806","0.0028","90","","984.1","0.2","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Trisodium manganese(II) titanium(IV) phosphate","","- Mn2 Na6 O24 P6 Ti2 -","- Mn2 Na6 O24 P6 Ti2 -","- Mn4 Na12 O48 P12 Ti4 -","2","0.5","","Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L","Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5)","Chemistry of Materials","2021","33","","8394","8403","10.1021/acs.chemmater.1c02775","","","","","","0.0702","","","","","","","","","","","","","","","has coordinates","271681","2022-01-03","08:57:02",""
"4004056","21.7545","0.0003","23.2675","0.0004","35.6129","0.0005","92.351","0.001","98.585","0.001","110.774","0.001","16579.2","0.5","172.99","0.1","172.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C370 H556 Ag86 K2 N12 O224 P10 W60 -","2","1","","Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun","Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate","Chemistry of Materials","2021","33","24","9708","9714","10.1021/acs.chemmater.1c03418","","x-ray","0.71073","MoKα","","0.0669","0.05","","","0.0989","0.104","","","","","","1.07","","","","has coordinates","271766","2022-01-03","23:16:00",""
"4004057","4.654","0.0004","4.654","0.0004","7.6686","0.0015","90","","90","","120","","143.85","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.28 Mn0.86 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.0361","0.0327","","","0.0715","0.0738","","","","","","1.222","","","","has coordinates","271767","2022-01-03","23:16:28",""
"4004058","4.6848","0.0006","4.6848","0.0006","7.7443","0.0018","90","","90","","120","","147.2","0.04","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.035","0.0319","","","0.0746","0.0785","","","","","","1.34","","","","has coordinates","271768","2022-01-03","23:16:45",""